Geometry & MOs

Info

ID:	164004
PubChem CID:	74381341
Reduced:	O3N6H24C25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	4.94
Dipole, Da:	3.4
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(1-phenylcycloheptanecarbonyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]ethanimidate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2)NC3=NC(=CN=C3)C4=C(N=C(C=C4)OC)OC

DOS

IR

Vibrations